3-(4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide

C10H14ClN3O2 — CID 114582429

IUPAC3-(4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCn1cnc(Cl)cc1=O
InChIInChI=1S/C10H14ClN3O2/c1-7(2)13-9(15)3-4-14-6-12-8(11)5-10(14)16/h5-7H,3-4H2,1-2H3,(H,13,15)
InChIKeyIEANNCWGJJWTAD-UHFFFAOYSA-N
MW243.69 g/mol
LogP0.81
Rot. Bonds4

About 3-(4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide

3-(4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide (PubChem CID 114582429) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 3-(4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
PubChem CID114582429
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name3-(4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCn1cnc(Cl)cc1=O
InChIInChI=1S/C10H14ClN3O2/c1-7(2)13-9(15)3-4-14-6-12-8(11)5-10(14)16/h5-7H,3-4H2,1-2H3,(H,13,15)
InChIKeyIEANNCWGJJWTAD-UHFFFAOYSA-N
XLogP0.81
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-iodo-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
CID 66307816
2-(4-chloro-6-oxopyrimidin-1-yl)-N-pentylpropanamide
CID 113604232
3-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
CID 113604535
3-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-cyclopropylpropanamide
CID 113604612
3-(4-Chloro-2-methyl-6-oxopyrimidin-1-yl)-2-methylpropanamide
CID 114581597
3-(4-Chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide
CID 114581667
3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide
CID 114581780
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide
CID 114581825
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide
CID 114581859
3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide
CID 114581885
3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide
CID 114581936
3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
CID 114581990

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide (CID 114582429) is 3-(4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide is CC(C)NC(=O)CCn1cnc(Cl)cc1=O.
What is the InChIKey of 3-(4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide?
The InChIKey is IEANNCWGJJWTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-7(2)13-9(15)3-4-14-6-12-8(11)5-10(14)16/h5-7H,3-4H2,1-2H3,(H,13,15).
What are the key properties of 3-(4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide?
3-(4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide has a molecular weight of 243.69 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 114582429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).